nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2021-03-12T15:24:30Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/279Fix issue #5122021-03-12T15:24:30ZAlvin Noe LadinesFix issue #512Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/280Parser move2021-03-12T16:45:33ZMarkus ScheidgenParser movehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/281Added new HOC that can check for WebGL-support.2021-03-15T09:18:06ZLauri HimanenAdded new HOC that can check for WebGL-support.Includes a fix for browsers that do not support WebGL: The StructureViewer and the BrillouinZoneViewer are in this case replaced with an info-alert. This WebGL-check is separated into a HOC-that can also be attached to other components t...Includes a fix for browsers that do not support WebGL: The StructureViewer and the BrillouinZoneViewer are in this case replaced with an info-alert. This WebGL-check is separated into a HOC-that can also be attached to other components that require WebGL.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/282New orca parser2021-03-17T07:41:33ZAlvin Noe LadinesNew orca parserImplemented new orca parserImplemented new orca parserMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/283Merge v0.10.0 into master for release2021-03-17T08:15:03ZMarkus ScheidgenMerge v0.10.0 into master for releasehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/284Reprocess2021-03-17T14:20:05ZMarkus ScheidgenReprocesshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/285Scrollfix2021-03-19T07:45:28ZLauri HimanenScrollfixContains a fix for the Plot scroll behaviour (#513) and a minor improvement to the dataset layout in the overview page.Contains a fix for the Plot scroll behaviour (#513) and a minor improvement to the dataset layout in the overview page.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/286Python version issues2021-03-19T11:03:50ZDavid SikterPython version issuesFix for problems discovered when using Python 3.8:
1) rewritten lazy_import, as it caused stack traces and hanging in 3.8.
2) fixed a number of failed test cases (RuntimeError: dictionary keys changed during iteration in nomad.app.v1.mod...Fix for problems discovered when using Python 3.8:
1) rewritten lazy_import, as it caused stack traces and hanging in 3.8.
2) fixed a number of failed test cases (RuntimeError: dictionary keys changed during iteration in nomad.app.v1.models._validate_query).Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/287Merge for release of v0.10.12021-03-22T08:49:36ZMarkus ScheidgenMerge for release of v0.10.1https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/288Fixed encyclopedia issues2021-03-22T13:10:35ZLauri HimanenFixed encyclopedia issuesFixed two issues I noticed in the Encyclopedia running on the beta deployment:
- The Encyclopedia GUI was one commit behind causing undefined values in the number of calculations shown for each material.
- The new Phonopy parser outputs ...Fixed two issues I noticed in the Encyclopedia running on the beta deployment:
- The Encyclopedia GUI was one commit behind causing undefined values in the number of calculations shown for each material.
- The new Phonopy parser outputs slightly different metainfos for vibrational free energies (this is an improvement over the old one), causing the thermal properties to be unavailable in the Encyclopedia. I updated the metainfo definitions (including one derived metainfo).Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/289Parser tests2021-03-23T12:07:41ZAlvin Noe LadinesParser testsImplementation of tests for vasp, exciting, fhiaims, gaussian, octopus, quantumespresso, orca, gpaw, abinitImplementation of tests for vasp, exciting, fhiaims, gaussian, octopus, quantumespresso, orca, gpaw, abinitMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/290Merge for release v0.10.12021-03-24T06:23:15ZMarkus ScheidgenMerge for release v0.10.1https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/291Merge for release v0.10.12021-03-25T12:25:33ZMarkus ScheidgenMerge for release v0.10.1https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/294Added a service worker to the GUI.2021-03-30T10:55:02ZMarkus ScheidgenAdded a service worker to the GUI.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/293Vaspparser fix2021-03-30T12:16:45ZAlvin Noe LadinesVaspparser fixIntroduced xml ElementTree finditer to vasp parser for enhanced performance.Introduced xml ElementTree finditer to vasp parser for enhanced performance.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/295Small fixes2021-03-31T12:06:19ZMarkus ScheidgenSmall fixeshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/296Performance impr. and refactor of vasp parser.2021-04-01T17:14:39ZMarkus ScheidgenPerformance impr. and refactor of vasp parser.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/297Parser tests2021-04-06T07:03:50ZAlvin Noe LadinesParser testsAdded lammpsparser tests and implemented new cp2k parser and testsAdded lammpsparser tests and implemented new cp2k parser and testsMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/292Refactored pagination models2021-04-06T11:13:22ZMarkus ScheidgenRefactored pagination modelshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/300Added endpoint to retrieve partial files of entries. #5232021-04-06T11:42:43ZMarkus ScheidgenAdded endpoint to retrieve partial files of entries. #523